3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

C22H18N6O6 — CID 178154722

IUPAC3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(Cc1nc(-c2cccc(-c3cnoc3)c2)no1)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C22H18N6O6/c1-27(16-8-19(30)28(22(16)32)15-5-6-17(29)24-21(15)31)10-18-25-20(26-34-18)13-4-2-3-12(7-13)14-9-23-33-11-14/h2-4,7-9,11,15H,5-6,10H2,1H3,(H,24,29,31)
InChIKeyOSMDGKODUSORTP-UHFFFAOYSA-N
MW462.42 g/mol
LogP0.88
Rot. Bonds6

About 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (PubChem CID 178154722) has the molecular formula C22H18N6O6 and a molecular weight of 462.42 g/mol. Its IUPAC name is 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
PubChem CID178154722
Molecular FormulaC22H18N6O6
Molecular Weight462.42 g/mol
Exact Mass462.13
IUPAC Name3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(Cc1nc(-c2cccc(-c3cnoc3)c2)no1)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C22H18N6O6/c1-27(16-8-19(30)28(22(16)32)15-5-6-17(29)24-21(15)31)10-18-25-20(26-34-18)13-4-2-3-12(7-13)14-9-23-33-11-14/h2-4,7-9,11,15H,5-6,10H2,1H3,(H,24,29,31)
InChIKeyOSMDGKODUSORTP-UHFFFAOYSA-N
XLogP0.88
TPSA151.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154861
3-[3-[[3-(3-cyclohexylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154851
3-[3-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154829
3-[3-[methyl-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154900
3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154935
3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 146628392
3-[2-oxo-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-b]pyridin-1-yl]piperidine-2,6-dione
CID 178155074
3-[2-oxo-5-[[3-(3-pyridin-3-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178155064
1-[[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101041
6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101139
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178100840
3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
CID 95921539

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (CID 178154722) is 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is CN(Cc1nc(-c2cccc(-c3cnoc3)c2)no1)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is OSMDGKODUSORTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O6/c1-27(16-8-19(30)28(22(16)32)15-5-6-17(29)24-21(15)31)10-18-25-20(26-34-18)13-4-2-3-12(7-13)14-9-23-33-11-14/h2-4,7-9,11,15H,5-6,10H2,1H3,(H,24,29,31).
What are the key properties of 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 462.42 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 178154722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).